Affinity Data by PDB ID

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PDB code 3CWD

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor (270/270 = 100%)^† (Homo sapiens (Human))	BDBM50295045 ((9Z,12E)-12-nitrooctadeca-9,12-dienoic acid \| CHEM...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARgamma by scintillation proximity assay				J Med Chem 52: 4631-9 (2009) Article DOI: 10.1021/jm900326c BindingDB Entry DOI: 10.7270/Q2HQ3ZXB
Wake Forest University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (270/270 = 100%)^† (Homo sapiens (Human))	BDBM50295045 ((9Z,12E)-12-nitrooctadeca-9,12-dienoic acid \| CHEM...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Activation of human PPARgamma-dependent transcription expressed in human MCF7 cells assessed as induction of PPRE-reporter gene expression after 24 h...				J Med Chem 52: 4631-9 (2009) Article DOI: 10.1021/jm900326c BindingDB Entry DOI: 10.7270/Q2HQ3ZXB
Wake Forest University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (270/270 = 100%)^† (Homo sapiens (Human))	BDBM50295045 ((9Z,12E)-12-nitrooctadeca-9,12-dienoic acid \| CHEM...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Activation of PPARgamma				J Med Chem 52: 4631-9 (2009) Article DOI: 10.1021/jm900326c BindingDB Entry DOI: 10.7270/Q2HQ3ZXB
Wake Forest University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output